Back to Search
N,N-Diethyldiethylenetriamine
CAS: 24426-16-2 | C8H21N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24426-16-2
Molecular Formula:
C8H21N3
Molecular Mass:
159.28 g/mol
Names and Synonyms:
N,N-Diethyldiethylenetriamine
1,2-Ethanediamine, N2-(2-aminoethyl)-N1,N1-diethyl-
Diethylenetriamine, 1,1-diethyl-
1,2-Ethanediamine, N′-(2-aminoethyl)-N,N-diethyl-
N2-(2-Aminoethyl)-N1,N1-diethyl-1,2-ethanediamine
N,N-Diethyldiethylenetriamine
NSC 166316
N′-(2-Diethylaminoethyl)ethane-1,2-diamine
N-(2-Diethylaminoethyl)ethane-1,2-diamine
N-(2-Diethylaminoethyl)ethylenediamine
(2-Aminoethyl)[2-(diethylamino)ethyl]amine
[2-[(2-Aminoethyl)amino]ethyl]diethylamine
Identifiers:
SMILES:
CCN(CC)CCNCCN
InChI:
InChI=1S/C8H21N3/c1-3-11(4-2)8-7-10-6-5-9/h10H,3-9H2,1-2H3
Key Properties
Boiling Point
112-114 °C @ Press: 24 Torr
CAS Common Chemistry
Density
0.88 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.28 g/mol | CAS Common Chemistry |
| 159.277 g/mol | RDKit | |
| 159.17354767199998 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8761 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 112-114 °C @ Press: 24 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCNCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H21N3/c1-3-11(4-2)8-7-10-6-5-9/h10H,3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CEFDTSBDWYXVHY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Diethyldiethylenetriamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.29 Ų | RDKit |
| LogP | -0.12349999999999872 | RDKit |
| Molar Refractivity | 49.71210000000002 | RDKit |
